SCHEMBL6652795

SCHEMBL6652795

Cc1[nH]c(-c2ccccc2)nc1CN1CCC(N(C(=O)N(C)C)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CTSS P25774 13/20 0.46
OPRM1 P35372 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRM2 P08172 4/20 0.44
CHRM3 P20309 4/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6653716 0.87 DRD2 (0.50) DRD2DRD4DRD3CTSSOPRM1
SCHEMBL6649677 0.83 CTSS (0.47) DRD2DRD4DRD3CTSSOPRM1
SCHEMBL6654442 0.82 CTSS (0.49) DRD2DRD4DRD3CTSSOPRM1
SCHEMBL6653777 0.80 CTSS (0.57) CTSS
SCHEMBL6658783 0.80 CHRM2 (0.51) DRD2DRD4DRD3CTSSOPRM1
SCHEMBL17814060 0.80 CTSS (0.58) CTSSOPRM1SIGMAR1CHRM2CHRM3
SCHEMBL6651962 0.77 CTSS (0.56) CTSS
SCHEMBL6652063 0.76 DRD2 (0.48) DRD2DRD4DRD3CTSSOPRM1
SCHEMBL6653626 0.75 CTSS (0.57) CTSS
SCHEMBL6651283 0.75 OPRM1 (0.41) CTSSOPRM1SIGMAR1CHRM2CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP claimed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US claimed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO claimed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 DRD2 346/4885DRD4 429/4885DRD3 1039/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.